COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845714
Chemical Name: benzyl{[3-cyano-6-hydroxy-4-(2-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1ccccc1[N+](=O)[O-])O

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Molecular Weight: 423.45
Empirical Formula: C21H17N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.32
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 3

     

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